2-[2-[2-[2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]ethoxy]ethoxy]ethoxy]ethanol | 1314880-47-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-[2-[2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]ethoxy]ethoxy]ethoxy]ethanol
• CAS: 1314880-47-1
• 化学式: C₇₀H₁₂₇NO₃₈
• 分子量: 1590.76
• InChiKey: JZMKDHAYFOXELI-DCBUKTJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  109
• 可旋转键数：
  39
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  374
• 氢给体数：
  2
• 氢受体数：
  39

反应信息

• 作为产物：
  描述：

  1-氨基-3,6,9-三噁-11-十一醇 、 [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl 4-methylbenzenesulfonate 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以69%的产率得到2-[2-[2-[2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]ethoxy]ethoxy]ethoxy]ethanol
  参考文献：
  名称：

  全甲基化β-环糊精取代的酞菁硅（IV）的制备及光动力学活性

  摘要：

  合成并表征了一系列通过两个不同间隔基与两个全甲基化β-环糊精部分连接的硅（IV）酞菁。还检查了这些间隔物对光物理性质和体外光动力活性的影响。具有两个庞大的亲水性取代基，所有这些化合物都可溶于DMF，甚至在水性介质中且基本上不聚集。对于类似物而言，DMF中的荧光和单态氧量子产率较低，间隔基中的氨基与酞菁环之间的间隔最短。该化合物的荧光量子产率在水中可能由于氨基的质子化而增加，这抑制了还原淬灭过程。50个值在0.04-1.32μ的范围中号。具有α，ω-氨基羟基戊基接头的类似物显示出最高的效价，这可以归因于其高细胞摄取和高效产生细胞内活性氧的能力。该化合物还在溶酶体中显示优先定位，主要通过凋亡诱导细胞死亡，并在体内抑制肿瘤的生长。结果表明，它是用于光动力疗法的有前途的光敏剂。

  DOI：

  10.1002/chem.201100621

文献信息

• Preparation and Photodynamic Activities of Silicon(IV) Phthalocyanines Substituted with Permethylated β-Cyclodextrins
  作者：Janet T. F. Lau、Pui-Chi Lo、Wing-Ping Fong、Dennis K. P. Ng

  DOI：10.1002/chem.201100621

  日期：2011.6.27

  A series of silicon(IV) phthalocyanines linked to two permethylated β‐cyclodextrin moieties through different spacers at the axial positions have been synthesized and characterized. The effects of these spacers on the photophysical properties and in vitro photodynamic activities have also been examined. Having two bulky hydrophilic substituents, all of these compounds are soluble and essentially nonaggregated

  合成并表征了一系列通过两个不同间隔基与两个全甲基化β-环糊精部分连接的硅（IV）酞菁。还检查了这些间隔物对光物理性质和体外光动力活性的影响。具有两个庞大的亲水性取代基，所有这些化合物都可溶于DMF，甚至在水性介质中且基本上不聚集。对于类似物而言，DMF中的荧光和单态氧量子产率较低，间隔基中的氨基与酞菁环之间的间隔最短。该化合物的荧光量子产率在水中可能由于氨基的质子化而增加，这抑制了还原淬灭过程。50个值在0.04-1.32μ的范围中号。具有α，ω-氨基羟基戊基接头的类似物显示出最高的效价，这可以归因于其高细胞摄取和高效产生细胞内活性氧的能力。该化合物还在溶酶体中显示优先定位，主要通过凋亡诱导细胞死亡，并在体内抑制肿瘤的生长。结果表明，它是用于光动力疗法的有前途的光敏剂。